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Deep Learning Automated Detection of Reticular Pseudodrusen from Fundus Autofluorescence Images or Color Fundus Photographs in AREDS2.

Ophthalmology
PURPOSE: To develop deep learning models for detecting reticular pseudodrusen (RPD) using fundus autofluorescence (FAF) images or, alternatively, color fundus photographs (CFP) in the context of age-related macular degeneration (AMD).

TOP: A deep mixture representation learning method for boosting molecular toxicity prediction.

Methods (San Diego, Calif.)
At the early stages of the drug discovery, molecule toxicity prediction is crucial to excluding drug candidates that are likely to fail in clinical trials. In this paper, we presented a novel molecular representation method and developed a correspond...

A novel graph attention adversarial network for predicting disease-related associations.

Methods (San Diego, Calif.)
Identifying complex human diseases at molecular level is very helpful, especially in diseases diagnosis, therapy, prognosis and monitoring. Accumulating evidences demonstrated that RNAs are playing important roles in identifying various complex human...

A deep metric learning approach for histopathological image retrieval.

Methods (San Diego, Calif.)
To distinguish ambiguous images during specimen slides viewing, pathologists usually spend lots of time to seek guidance from confirmed similar images or cases, which is inefficient. Therefore, several histopathological image retrieval methods have b...

Transfer Learning: Making Retrosynthetic Predictions Based on a Small Chemical Reaction Dataset Scale to a New Level.

Molecules (Basel, Switzerland)
Effective computational prediction of complex or novel molecule syntheses can greatly help organic and medicinal chemistry. Retrosynthetic analysis is a method employed by chemists to predict synthetic routes to target compounds. The target compounds...

Jupyter notebook-based tools for building structured datasets from the Sequence Read Archive.

F1000Research
The Sequence Read Archive (SRA) is a large public repository that stores raw next-generation sequencing data from thousands of diverse scientific investigations.  Despite its promise, reuse and re-analysis of SRA data has been challenged by the heter...

Putative cell type discovery from single-cell gene expression data.

Nature methods
We present the Single-Cell Clustering Assessment Framework, a method for the automated identification of putative cell types from single-cell RNA sequencing (scRNA-seq) data. By iteratively applying a machine learning approach to a given set of cells...

A Deep Neural Network for the Rapid Prediction of X-ray Absorption Spectra.

The journal of physical chemistry. A
X-ray spectroscopy delivers strong impact across the physical and biological sciences by providing end users with highly detailed information about the electronic and geometric structure of matter. To decode this information in challenging cases, , ...

An automated machine learning approach to predict brain age from cortical anatomical measures.

Human brain mapping
The use of machine learning (ML) algorithms has significantly increased in neuroscience. However, from the vast extent of possible ML algorithms, which one is the optimal model to predict the target variable? What are the hyperparameters for such a m...

Improvement in ADMET Prediction with Multitask Deep Featurization.

Journal of medicinal chemistry
The absorption, distribution, metabolism, elimination, and toxicity (ADMET) properties of drug candidates are important for their efficacy and safety as therapeutics. Predicting ADMET properties has therefore been of great interest to the computation...